alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-D-GlcNAc
Grundinformationen
- CAS
101627-01-4- Standard-SMILES
CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@@H]1O- InChIKey
NNISLDGFPWIBDF-MPRBLYSKSA-N- Summenformel
- C20H35NO16
- Durchschnittliche Molmasse
- 545,5 g/mol
Überblick
Alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-D-GlcNAc is an amino trisaccharide consisting of two D-galactose residues, linked alpha(13), and an N-acetyl-D-glucosamine residue, linked beta(14), at the reducing end. It has a role as an allergen. It is a glucosamine oligosaccharide and an amino trisaccharide.
Namen und Bezeichner
- Bevorzugter Name
- alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-D-GlcNAc
- IUPAC
- N-[(3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
- Englischer Name
- LinearBtrisaccharide
- Summenformel
- C20H35NO16
- Molmasse
- 545.49
Namen und Synonyme
alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-D-GlcNAcCHEBI:18217N-[(3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideN-((3R,4R,5S,6R)-5-((2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl)acetamideRefChem:617152GlyTouCan:G27798EJG27798EJalphaGal1-3betaGal1-4GlcNAcGalalpha1-3Galbeta1-4GlcNAc101627-01-4alpha-D-Galp-(1->3)-beta-D-Galp-(1->4)-D-GlcNAcEpitope ID:141496
Weitere Namen anzeigen
Xeno antigen type 2 / Galili antigen triose (>90% NMR)β-D-Glucopyranose, O-α-D-galactopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-
SCHEMBL6806198Gal(a1-3)Gal(b1-4)GlcNAcgal-alpha-1,3-gal-beta-1,4-GlcNAcQ27102913O_FULL_21000000000000_GS_485_c3O-alpha-D-Galactopyranosyl-(1-3)-O-beta-D-galactopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -6,3
- Polarare Oberfläche (TPSA)
- 278 Ų
- H-Brücken-Donoren
- 11
- H-Brücken-Akzeptoren
- 16
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 37
- Formalladung
- 0
- Komplexität
- 747
Physikochemische Eigenschaften
- Siedepunkt
- 998.1 · 998.1±65.0 °C(Predicted)
- Dichte
- 1.71 · 1.71±0.1 g/cm3(Predicted)
- pka
- 11.93 · 11.93±0.70(Predicted)
Chemie und Industrie
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